2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide CAS Name: 2-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[3-[(3,4-dimethoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: N-(3-fluorophenyl)-2-[(4-keto-3-veratryl-quinazolin-2-yl)thio]acetamide Formula: C25H22FN3O4S MolecularWeight: 479.523283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=CC=C4)F)OC

InChI

InChI=1S/C25H22FN3O4S/c1-32-21-11-10-16(12-22(21)33-2)14-29-24(31)19-8-3-4-9-20(19)28-25(29)34-15-23(30)27-18-7-5-6-17(26)13-18/h3-13H,14-15H2,1-2H3,(H,27,30)